HRID159117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID75646

Cyclopropanemethanamine

C4H9N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)O

HCID22143546

未命名化合物

PRODUCTS

生成物

结构：Cc1sc2cc(Oc3ccnc4cc(-c5nccn5C)sc34)ccc2c1C(=O)NCC1CC1

HCID20767915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd672b9a34f447386d6193f14f8a10a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:27](=[O:28])[OH:29])[c:4]2[c:5]([s:6]1)[cH:7][c:8]([O:11][c:12]1[c:13]3[c:14]([n:15][cH:16][cH:17]1)[cH:18][c:19](-[c:21]1[n:22]([CH3:26])[cH:23][cH:24][n:25]1)[s:20]3)[cH:9][cH:10]2.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:30][CH2:31][CH:32]1[CH2:33][CH2:34]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][c:2]1[c:3]([C:27](=[O:28])[NH:30][CH2:31][CH:32]2[CH2:33][CH2:34]2)[c:4]2[c:5]([s:6]1)[cH:7][c:8]([O:11][c:12]1[c:13]3[c:14]([n:15][cH:16][cH:17]1)[cH:18][c:19](-[c:21]1[n:22]([CH3:26])[cH:23][cH:24][n:25]1)[s:20]3)[cH:9][cH:10]2